SCHEMBL21097885

SCHEMBL21097885

C=C(CC)C(=O)OCCc1cc(-c2ccc(-c3ccc(CCCCC)cc3)cc2CC)ccc1OCCC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
APAF1 O14727 2/20 0.35
PTPN11 Q06124 2/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RARB P10826 10/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD52 P43351 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RARA P10276 2/20 0.33
RARG P13631 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21115596 0.96 HTT (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17063576 0.93 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18645610 0.93 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL21984947 0.92 PTPN11 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18645804 0.92 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070370 0.90 CNR2 (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17082421 0.89 CNR2 (0.35) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070505 0.89 HTT (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL18646502 0.89 HTT (0.36) CNR2CNR1HTTMAPTMAPK1
SCHEMBL17070535 0.89 HTT (0.38) CNR2CNR1HTTMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
WO-2024132893-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed
EP-3924447-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2024-01-24 EP disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
WO-2023208801-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-11-02 WO disclosed
WO-2023209049-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-02 WO disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
WO-2020165394-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-08-20 WO disclosed
WO-2020127193-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed
WO-2020115089-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2020-06-11 WO disclosed
US-20200181493-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-06-11 US disclosed
US-20200040257-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
EP-3604481-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-02-05 EP disclosed
WO-2019180060-A1 LIQUID-CHRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2019-09-26 WO disclosed
EP-3502209-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2019-06-26 EP disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed